Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.
Compound
| ID: | t149 | |
|---|---|---|
| Name: | 3-ethyl-nonane | |
| Description: | ||
| Labels: | Training | |
| CAS: | 17302-11-3 | |
| InChi Code: | InChI=1S/C11H24/c1-4-7-8-9-10-11(5-2)6-3/h11H,4-10H2,1-3H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 3.32 |
experimental value |
| 3.5383 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 3.5383 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |